Crystal structure of π-allyl(triphenylphosphine)palladium–trichlorotin

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Abstract
The crystal structure of solvated π-allyl(tripheylphosphine) palladium–trichlorotin, [(π-C3H5)Pd(PPh3)SnCl3],-0·40Me2CO, has been determined by three-dimensional, single-crystal, X-ray analysis. The complex crystallises as yellow needles in the monoclinic space group P21/c, with a= 12·80, b= 22·03, c= 9·44 Å, β= 103·20°, and Z= 4. The structure was solved by Patterson and Fourier syntheses, and refined by least-squares analysis. The acetone molecule was refined as a rigid group of fixed geometry to a population of 0·40 molecules of acetone per molecule of complex. The final R for the 2273 independent non-zero reflexions, measured by counter methods, is 0·042. The complex consists of a palladium atom to which are bonded, in an approximately planar configuration, a π-allyl group, a triphenyl-phosphine ligand, and an SnCl3 – ligand which is distorted from tetrahedral symmetry; the length of the palladium–tin bond is 2·563 ± 0·001 Å and is discussed in detail. The equality of the two palladium–terminal carbon(allyl) distances [2·193 and 2·201 (±0·013)Å], suggests that the trans-influences of the SnCl3 – and the triphenylphosphine ligands are approximately equal.

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